Cadaverine Tartrate

Cadaverine Tartrate

SCHEMBL9870639

Nc1nc(-c2ccccc2)c(CCCN2CCN(c3ccc(F)cc3)CC2)s1.O=C(O)C(O)C(O)C(=O)O

nearest known ligand 0.46

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Cadaverine Tartrate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 3/20 0.42
HRH1 known ✓ P35367 1/20 0.42
PARP1 P09874 1/20 0.46
HTR1A P08908 4/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
CACNA1G O43497 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
DRD2 P14416 2/20 0.43
CYP1A2 P05177 1/20 0.43
SLC6A4 P31645 2/20 0.43
HTR2C P28335 3/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ABCB1 P08183 1/20 0.42
HTR7 P34969 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Cadaverine Tartrate SCHEMBL9870596 0.95 HTR1A (0.45) PARP1HTR1AGRIN1GRIN2BCACNA1G
SCHEMBL7277460 0.92 CACNA1G (0.50) PARP1HTR1AGRIN1GRIN2BCACNA1G
SCHEMBL7277915 0.86 CACNA1G (0.48) PARP1HTR1AGRIN1GRIN2BCACNA1G
Cadaverine Tartrate SCHEMBL9872353 0.86 MAPT (0.47) HTR1AALDH1A1DRD4DRD3DRD2
Cadaverine Tartrate SCHEMBL9871896 0.85 HTR1A (0.47) HTR1ADRD4DRD3DRD2CYP1A2
Cadaverine Tartrate SCHEMBL9871086 0.84 DRD2 (0.46) HTR1ACACNA1GDRD4DRD3DRD2
Cadaverine Tartrate SCHEMBL9871114 0.84 HTR1A (0.49) HTR1ACACNA1GUSP2ALDH1A1DRD2
Hydrochloric Acid SCHEMBL9870939 0.83 HTR2A (0.53) HTR1AALDH1A1DRD4DRD3DRD2
Cadaverine Tartrate SCHEMBL9872027 0.82 SIGMAR1 (0.51) PARP1HTR1ACACNA1GDRD3DRD2
SCHEMBL7275861 0.76 MAPT (0.55) HTR1AALDH1A1DRD3DRD2CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071864-A Administering for high blood pressure and central nervous syst em disorders BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed